For simplifying the DME synthesis reaction, the overall reaction
is respectively divided into three sections: methanol synthesis, methanol dehydration and WGS reaction. The reaction rates (r) of methanol synthesis are individually expressed in Eq. (7) led by CO and
Eq. (8) led by CO2. Where, β is defined as fugacity to equilibrium
reaction of each component [9,10].
The r
DME of DME synthesis through methanol dehydration is shown
in Eq. (9), and rWGS of WGS reaction is shown in Eq. (10). WGS
reaction takes place on Cu cluster among the DME catalyst and it
proceeds through two steps: supplying H2 by adsorption of oxygen
in H
2O molecule, and generating CO2 between CO and adsorptive
oxygen [11]. The modified reaction rate constants, adsorption coefficients and equilibrium constants following Eq. (7)-(10) are shown
in Table 1.